QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool - van den Maagdenberg, Helle W.; Šícho, Martin; Araripe, David Alencar; Luukkonen, Sohvi; Schoenmaker, Linde; Jespers, Michiel; Béquignon, Olivier J. M.; González, Marina Gorostiola; van den Broek, Remco L.; Bernatavicius, Andrius; van Hasselt, J. G. Coen; van der Graaf, Piet. H.; et al. (Journal of cheminformatics, 2024)
Keywords: Algorithms; Biological activity; Cheminformatics; Chemistry; Chemistry and Materials Science; Computational Biology/Bioinformatics; Computer Applications in Chemistry; Data analysis; Datasets; Documentation and Information in Chemistry; Machine learning; Modelling; Open source software; Packages; Proteochemometrics; QSAR modelling; QSPR modelling; Reproducibility; Research from the Ninth Joint Sheffield Conference on Chemoinformatics; Software; Task complexity; Theoretical and Computational Chemistry; Workflow; Proteochemometrics; Cheminformatics; Software; QSPR modelling; QSAR modelling; Machine learning